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Multiphoton ionization and density functional studies of pyrimidine-(water)(n) clusters
Zhang, BL; Cai, Y; Mu, XL; Lou, NQ; Wang, XY
刊名JOURNAL OF CHEMICAL PHYSICS
2002-08-22
DOI10.1063/1.1494783
117期:8页:3701-3710
收录类别SCI
文章类型Article
WOS标题词Science & Technology ; Physical Sciences
类目[WOS]Physics, Atomic, Molecular & Chemical
研究领域[WOS]Physics
关键词[WOS]HYDROGEN-BONDED COMPLEXES ; METASTABLE DECOMPOSITION ; BINARY CLUSTERS ; PROTON-TRANSFER ; PYRIMIDINE ; WATER ; MOLECULES ; DISSOCIATION ; SPECTROSCOPY ; AZABENZENES
英文摘要The multiphoton ionization of pyrimidine-(water)(n) clusters at conditions of supersonic expansion is studied using a time-of-flight mass spectrometer at the wavelengths of 355 and 532 nm. At both wavelengths, a series of protonated C4H4N2-(H2O)(n)H+ cluster ions are obtained. The production of these protonated cluster ions requires an intracluster proton transfer reaction. The protonated products are also suggested to relate to the excitation or ionization of water molecules. Ab initio calculations show that the dissociation of C4H4N2-(H2O)(n)(+) cluster ions prefer to produce protonated ions. Two ways of producing protonated cluster ions are discussed. The reaction mechanism of intracluster proton transfer and the geometric structures of pyrimidine-(water)(n) clusters were depicted. The proton pulling effect and the atomic charge changes in the protonated cluster ions are also discussed. (C) 2002 American Institute of Physics.
语种英语
WOS记录号WOS:000177351100018
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被引频次:22[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/139211
专题中国科学院大连化学物理研究所
作者单位Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
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Zhang, BL,Cai, Y,Mu, XL,et al. Multiphoton ionization and density functional studies of pyrimidine-(water)(n) clusters[J]. JOURNAL OF CHEMICAL PHYSICS,2002,117(8):3701-3710.
APA Zhang, BL,Cai, Y,Mu, XL,Lou, NQ,&Wang, XY.(2002).Multiphoton ionization and density functional studies of pyrimidine-(water)(n) clusters.JOURNAL OF CHEMICAL PHYSICS,117(8),3701-3710.
MLA Zhang, BL,et al."Multiphoton ionization and density functional studies of pyrimidine-(water)(n) clusters".JOURNAL OF CHEMICAL PHYSICS 117.8(2002):3701-3710.
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